Cyclopamine

Cyclopamine

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Catalog Number ACM4449518-1
CAS Number 4449-51-8
Structure
Synonyms 11-Deoxojervine
IUPAC Name (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-Tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol
Molecular Weight 411.6
Molecular Formula C27H41NO2
Canonical SMILES CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5CC4=C3C)C)O)C)NC1
InChI InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1
InChI Key QASFUMOKHFSJGL-LAFRSMQTSA-N
Melting Point 224-227 °C
Purity 99%+(HPLC)
Appearance White powder
Storage Store at 4 °C, sealed, away from light (valid for 2 years under this condition).
Complexity 801
Exact Mass 411.313729551
Heavy Atom Count 30
Isomeric SMILES C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1
Monoisotopic Mass 411.313729551
Topological Polar Surface Area 41.5Ų

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